1-(4-Fluoronaphthalen-1-yl)ethanone

Base Information

• Chemical Name: 1-(4-Fluoronaphthalen-1-yl)ethanone
• CAS No.: 316-68-7
• Molecular Formula: C12H9FO
• Molecular Weight: 188.201
• Hs Code.: 2914700090
• European Community (EC) Number: 206-261-9
• DSSTox Substance ID: DTXSID00185487
• Nikkaji Number: J193.734K
• Wikidata: Q72479004
• Mol file: 316-68-7.mol

Synonyms:316-68-7;1-(4-fluoronaphthalen-1-yl)ethanone;4-Fluoro-1-acetonaphthone;1-(4-fluoro-1-naphthyl)ethanone;1-acetyl-4-fluoronaphthalene;4'-Fluoro-1'-acetonaphthone;Ethanone, 1-(4-fluoro-1-naphthalenyl)-;1-(4-Fluoro-1-naphthyl)ethan-1-one;1-(4-fluoronaphthalen-1-yl)ethan-1-one;EINECS 206-261-9;MFCD00134475;C12H9FO;4'-fluoro-1'acetonaphthone;4'-fluoro-1' acetonaphthone;SCHEMBL401068;1-acetyl-4-fluoro-naphthalene;GAMOBQXCYKWQLT-UHFFFAOYSA-;DTXSID00185487;4'-Fluoro-1'-acetonaphthone, 97%;AKOS003342513;AM61455;CS-W016808;PS-6961;1-(4-fluoro-naphthalen-1-yl)-ethanone;FT-0631941;EN300-77062;J-018508

Chemical Property of 1-(4-Fluoronaphthalen-1-yl)ethanone

Chemical Property:

• Melting Point: 33-35 °C
• Refractive Index: n20/D 1.608(lit.)
• Boiling Point: 294.4 °C at 760 mmHg
• Flash Point: 129.9 °C
• PSA: 17.07000
• Density: 1.181 g/cm³
• LogP: 3.18150
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 188.063743068
• Heavy Atom Count: 14
• Complexity: 226

Purity/Quality:

99%, ^*data from raw suppliers

4-Fluoro-1-acetonaphthone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(C2=CC=CC=C21)F

Technology Process of 1-(4-Fluoronaphthalen-1-yl)ethanone

There total 2 articles about 1-(4-Fluoronaphthalen-1-yl)ethanone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

1-Fluoronaphthalene (321-38-0) + acetyl chloride (75-36-5) → 4-fluoro-1-acetonaphthone (316-68-7)

Guidance literature:

With aluminium trichloride; In dichloromethane; 1.) 0 deg C; 2.) ambient temp. 4 h; 3.) reflux, 2.5 h;

Reference yield:

1-Fluoronaphthalene (321-38-0) → 4-fluoro-1-acetonaphthone (316-68-7)

Guidance literature:

acylation;

DOI:10.1002/mrc.1260280312

Reference yield: 93.0%

4-fluoro-1-acetonaphthone (316-68-7) + benzaldehyde (100-52-7) → C19H13FO (1135954-35-6)

Guidance literature:

With Montmorillonite KSF; for 0.0305556h; Microwave irradiation;

upstream raw materials:

1-Fluoronaphthalene

acetyl chloride

Downstream raw materials:

4-Fluor-ω-brom-1-acetonaphthon

2,2-dibromo-1-(4-fluoro-[1]naphthyl)-ethanone

1-(4-fluoro-[1]naphthyl)-3t-(4-fluoro-phenyl)-propenone

3t-(4-dimethylamino-phenyl)-1-(4-fluoro-[1]naphthyl)-propenone

Refernces

• 1、 -. "MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE". Paragraph 00644-00645. . Retrieved 2019/10/29.
• 2、 Adejare, Adeboye,Sciberras, Sophie S.. "Synthesis and β-adrenergic activities of R-fluoronaphthyloxypropanolamine". . p. 533 - 536. Retrieved 2007/10/03.